Crop simulations

Scaffold replacement as part of an optimization process that requires maintenance of potency, desirable biodistribution, metabolic stability, and considerations of synthesis at very large scale is a complex challenge. Here, we consider a set of over 1000 time-stamped compounds, beginning with a macrocyclic natural-product lead and ending with a broad-spectrum crop anti-fungal. We demonstrate the application of the QuanSA 3D-QSAR method employing an active learning procedure that combines two types of molecular selection...

The root system plays a vital role in plants' ability to absorb water and nutrients. In situ root research offers an intuitive approach to exploring root phenotypes and their dynamics. Deep-learning-based root segmentation methods have gained popularity, but they require large labeled datasets for training. This paper presents an expansion method for in situ root datasets using an improved CycleGAN generator. In addition, spatial-coordinate-based target background separation method is proposed, which solves the issue of background pixel variations caused by generator errors...

Setaria italica (S. italica, Linnaeus, 1753) is a drought-resistant, barren-tolerant, and widely adapted C-4 crop that plays a vital role in maintaining agricultural and economic stability in arid and barren regions of the world. However, the potential habitat of S. italica under current and future climate scenarios remains to be explored. Predicting the potential global geographic distribution of S. italica and clarifying its ecological requirements can help promote sustainable agriculture, which is crucial for addressing the global food crisis...

BACKGROUND: The beet armyworm, Spodoptera exigua (Hübner), is an important agricultural pest worldwide that has caused serious economic losses in the main crop-producing areas of China. To effectively monitor and control this pest, it is crucial to investigate its population dynamics and seasonal migration patterns in northern China. METHODS: In this study, we monitored the population dynamics of S. exigua using sex pheromone traps in Shenyang, Liaoning Province from 2012 to 2022, combining these data with amigration trajectory simulation approach and synoptic weather analysis...

Growing public awareness of the negative effects of pesticides on the environment, ecosystems, and human health has led governments to set targets for reducing pesticide risk. Switzerland introduced in 2023 two new policy measures to reduce pesticide risk by 50 % by 2027: (1) voluntary direct payment programs supporting pesticide-reduced and pesticide-free but non-organic cropping systems for most crops on arable land, and (2) restrictions of harmful pesticides for farmers managing under Swiss cross-compliance standards...

The unregulated irrigation systems used in the late 20th century have led to increasingly severe deep percolation (DP) in the agricultural irrigation areas of the North China Plain. This has become an important factor limiting the efficient utilization of water resources and sustainable environmental development in these irrigation areas. However, the thick vadose zone is hydrodynamically exceptionally complex. The soil hydrological cycle is constantly changing under the influence of major climate change and human activity, thereby causing changes in DP that are difficult to quantify accurately...

4-Hydroxyphenylpyruvate dioxygenase (EC 1.13.11.27; HPPD) is one of the important target enzymes in the development of herbicides. To discover novel HPPD inhibitors with unique molecular, 39 cyclohexanedione derivations containing pyrazole and pyridine groups were designed and synthesized. The preliminary herbicidal activity test results showed that some compounds had obvious inhibitory effects on monocotyledon and dicotyledonous weeds. The herbicidal spectrums of the highly active compounds were further determined, and the compound G31 exhibited the best inhibitory rate over 90% against Plantago depressa Willd and Capsella bursa-pastoris at the dosages of 75...

Climate change, characterized by rising atmospheric CO2 levels and temperatures, poses significant challenges to global crop production. Sweet sorghum, a prominent C4 cereal extensively grown in arid areas, emerges as a promising candidate for sustainable bioenergy production. This study investigated the responses of photosynthesis and leaf-scale water use efficiency (WUE) to varying light intensity ( I ) in sweet sorghum under different temperature and CO2 conditions. Comparative analyses were conducted between the A n - I , g s - I , T r - I , WUEi - I , and WUEinst - I models proposed by Ye et al...

Using waste from sewage systems, particularly human excreta, could save resources and increase soil fertility, contributing to nutrient management. However, because of the pathogenic content in human feces, this resource can pose health risks to farmers and consumers. Therefore, this work analyzed the behavior of the microorganisms: Escherichia coli ATCC13706 and human adenovirus (HAdV-2) in the soil and the internal part of the plant tissue during the vegetative stage after applying spiked composted human feces as biofertilizer...

Monte Carlo (MC) simulations are the benchmark for accurate radiotherapy dose calculations, notably in patient-specific high dose rate brachytherapy (HDR BT), in cases where considering tissue heterogeneities is critical. However, the lengthy computational time limits the practical application of MC simulations. Prior research used Deep Learning (DL) for dose prediction as an alternative to MC simulations. While accurate dose predictions akin to MC were attained, GPU limitations constrained these predictions to large voxels of 3mm × 3mm × 3mm...

Adaptation measures are essential for reducing the impact of future climate risks on agricultural production systems. The present study focuses on implementing an adaptation strategy to mitigate the impact of future climate change on rainfed maize production in the Eastern Kansas River Basin (EKSRB), an important rainfed maize-producing region in the US Great Plains, which faces potential challenges of future climate risks due to a significant east-to-west aridity gradient. We used a calibrated CERES-Maize crop model to evaluate the impacts of baseline climate conditions (1985-2014), late-term future climate scenarios (under the SSP245 emission pathway and CMIP6 models), and a novel root proliferation adaptation strategy on regional maize yield and rainfall productivity...

The heavy metal(loid)s (HMs) in soils can be accumulated by crops grown, which is accompanied by crop ingestion into the human body and then causes harm to human health. Hence, the health risks posed by HMs in three crops for different populations were assessed using Health risk assessment (HRA) model coupled with Monte Carlo simulation. Results revealed that Zn had the highest concentration among three crops; while Ni was the main polluting element in maize and soybean, and As in rice. Non-carcinogenic risk for all populations through rice ingestion was at an "unacceptable" level, and teenagers suffered higher risk than adults and children...

To promote the comprehensive utilization of corn stover and the development of field water-saving irrigation technology, a method of returning corn stover to the field was prosed; in this method, the crop stalks were crushed, mixed with soil in different proportions of adulteration, and then extruded to form hollow round tubes. To compare the influence of the winch blade with or without a diameter change on the composite pipe molding performance, two composite pipe molding devices were theoretically designed, simulated, and analyzed using discrete element simulation software, and a composite pipe molding bench test was performed...

Mesosulfuron-methyl, an inhibitor of acetolactate synthase (ALS), has been extensively used in wheats. However, it can damage wheat ( Triticum aestivum ) and even lead to crop death. Herbicide safeners selectively shield crops from such damage without compromising weed control. To mitigate the phytotoxicity of mesosulfuron-methyl in crops, several purine derivatives were developed based on active substructure splicing. The synthesized title compounds underwent thorough characterization using infrared spectroscopy, 1 H nuclear magnetic resonance (1 H NMR), 13 C nuclear magnetic resonance (13 C NMR), and high-resolution mass spectrometry...

In order to discover novel protoporphyrinogen oxidase (PPO) inhibitors with excellent herbicidal activity, a series of structurally novel 6-(pyridin-2-yl) benzothiazole derivatives were designed based on the scaffold hopping strategy. The in vitro experiments demonstrated that the newly synthesized compounds exhibited noteworthy inhibitory activity against Arabidopsis thaliana PPO ( At PPO), with IC50 values ranging from 0.06 to 1.36 μM. Preliminary postemergence herbicidal activity tests and crop safety studies indicated that some of our compounds exhibited excellent herbicidal activity and crop safety...

Root hydraulic properties are key physiological traits that determine the capacity of root systems to take up water, at a specific evaporative demand. They can strongly vary among species, cultivars or even within the same genotype, but a systematic analysis of their variation across plant functional types (PFTs) is still missing. Here, we reviewed published empirical studies on root hydraulic properties at the segment-, individual root-, or root system scale and determined its variability and the main factors contributing to it...

BACKGROUND: Although sequencing technologies have boosted the measurement of the genomic diversity of plant crops, it remains challenging to accurately genotype millions of genetic variants, especially structural variations, with only short reads. In recent years, many graph-based variation genotyping methods have been developed to address this issue and tested for human genomes. However, their performance in plant genomes remains largely elusive. Furthermore, pipelines integrating the advantages of current genotyping methods might be required, considering the different complexity of plant genomes...

The DSSAT CANEGRO model was calibrated and verified using field experimental data from five Tamil Nadu Agroclimatic Zones (1981-2022). The genetic coefficients of the sugarcane cultivar (CO-86032) were calculated. R2 obtained between measured and simulated stalk fresh mass was 0.9 with the nRMSE (0.01) and RMSE (1.6) and R2 between measured and simulated sucrose mass was 0.9 with the nRMSE (0.16) and RMSE (1.2). For yield R2 obtained between measured and simulated was 0.9 with the nRMSE (0.01) and RMSE (1.6)...

Effective policies for adaptation to climate change require understanding how impacts are related to exposures and vulnerability, the dimensions of the climate system that will change most and where human impacts will be most draconian, and the institutions best suited to respond. Here, we propose a simple method for more credibly pairing empirical statistical damage estimates derived from recent weather and outcome observations with projected future climate changes and proposed responses. We first analyze agricultural production and loan repayment data from Brazil to understand vulnerability to historical variation in the more predictable components of temperature and rainfall (trend and seasonality) as well as to shocks (both local and over larger spatial scales)...

Meteorological variables are essential inputs for agricultural simulation models and the lack of measured data is a big challenge for the application of these models in many agricultural zones. Studies indicated that gridded meteorological datasets can be proper replacements for measured data. This paper aimed to examine a new gridded meteorological dataset namely CRU-JRA for crop modeling intents. The CRU-JRA is a 6-hourly dataset with a spatial resolution of 0.5° × 0.5° that was primarily constructed for modeling purposes...